methyl 3-(cyanomethyl)-6-nitro-indole-1-carboxylate

Systemtic Name: methyl 3-(cyanomethyl)-6-nitro-indole-1-carboxylate Openeye Name: methyl 3-(cyanomethyl)-6-nitro-indole-1-carboxylate CAS Name: 3-(cyanomethyl)-6-nitro-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-6-nitroindole-1-carboxylate Traditional Name: 3-(cyanomethyl)-6-nitro-indole-1-carboxylic acid methyl ester Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

COC(=O)N1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C12H9N3O4/c1-19-12(16)14-7-8(4-5-13)10-3-2-9(15(17)18)6-11(10)14/h2-3,6-7H,4H2,1H3